N-butyl-3-[[N-cyano-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamimidoyl]amino]benzamide

Systemtic Name: N-butyl-3-[[N-cyano-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamimidoyl]amino]benzamide Openeye Name: N-butyl-3-[[N-cyano-N'-(3-methoxy-4-oxazol-5-yl-phenyl)carbamimidoyl]amino]benzamide CAS Name: N-butyl-3-[[(cyanoamino)-[3-methoxy-4-(5-oxazolyl)phenyl]iminomethyl]amino]benzamide IUPAC Name: N-butyl-3-[[N-cyano-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamimidoyl]amino]benzamide Traditional Name: N-butyl-3-[[N-cyano-N'-(3-methoxy-4-oxazol-5-yl-phenyl)amidino]amino]benzamide Formula: C23H24N6O3 MolecularWeight: 432.47506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=CC=C1)NC(=NC2=CC(=C(C=C2)C3=CN=CO3)OC)NC#N

Isomeric SMILES

CCCCNC(=O)C1=CC(=CC=C1)NC(=NC2=CC(=C(C=C2)C3=CN=CO3)OC)NC#N

InChI

InChI=1S/C23H24N6O3/c1-3-4-10-26-22(30)16-6-5-7-17(11-16)28-23(27-14-24)29-18-8-9-19(20(12-18)31-2)21-13-25-15-32-21/h5-9,11-13,15H,3-4,10H2,1-2H3,(H,26,30)(H2,27,28,29)